Effective absorption mechanism of SO2 and NO2 in the flue gas byammonium-bromide-based deep eutectic solvents

Simultaneous capture of SO2 and NOx from flue gas is critical for coal-fired power generation. In this study, environmentally friendly and high-performance deep eutectic solvents based on ethylene glycol and ammonium bromide were designed to capture SO2 and NO2 simultaneously. The SO2 and NO2 absorption performances and absorption mechanisms were systematically investigated by 1H NMR and Fourier transform infrared (FT-IR) spectroscopy in combination with ab initio calculations using Gaussian software. The results showed that EG-TBAB DESs can absorb low concentrations of SO2 and NO2 from the flue gas simultaneously at low temperatures (≤50 °C). 1H NMR, FT-IR, and simulation results indicate that SO2 and NO2 are absorbed by forming EG-TBAB-SO2-NO2 complexes, Br- is the main active site for NO2 absorption, and NO2 is more active in an EG-TBAB-NO2-SO2 complex than SO2. EG-TBAB DESs exhibit outstanding regeneration capability, and absorption capacities remain unchanged after five absorption-desorption cycles. The fundamental understanding of simultaneous capture of SO2 and NO2 from this study enables DES structures to be rationally designed for efficient and low-cost desulfurization and denitrification reagents.